N-(1,2-dihydropyridin-2-yl)hydroxylamine

C5H8N2O — CID 22987990

IUPACN-(1,2-dihydropyridin-2-yl)hydroxylamine
SMILESONC1C=CC=CN1
InChIInChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-8H
InChIKeyYNQIVUMLHWBSDV-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.04
Rot. Bonds1

About N-(1,2-dihydropyridin-2-yl)hydroxylamine

N-(1,2-dihydropyridin-2-yl)hydroxylamine (PubChem CID 22987990) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-2-yl)hydroxylamine
PubChem CID22987990
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(1,2-dihydropyridin-2-yl)hydroxylamine
SMILESONC1C=CC=CN1
InChIInChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-8H
InChIKeyYNQIVUMLHWBSDV-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,2-dihydropyridin-2-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-2-yl)hydroxylamine?
The IUPAC name of N-(1,2-dihydropyridin-2-yl)hydroxylamine (CID 22987990) is N-(1,2-dihydropyridin-2-yl)hydroxylamine.
What is the SMILES notation for N-(1,2-dihydropyridin-2-yl)hydroxylamine?
The canonical SMILES for N-(1,2-dihydropyridin-2-yl)hydroxylamine is ONC1C=CC=CN1.
What is the InChIKey of N-(1,2-dihydropyridin-2-yl)hydroxylamine?
The InChIKey is YNQIVUMLHWBSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-8H.
What are the key properties of N-(1,2-dihydropyridin-2-yl)hydroxylamine?
N-(1,2-dihydropyridin-2-yl)hydroxylamine has a molecular weight of 112.13 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-2-yl)hydroxylamine is sourced from PubChem (CID 22987990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).